N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide

C22H29N5O3 — CID 22047163

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
SMILESCC1C(NC(=O)c2cc3c(C(=O)N4CCN(C)CC4)coc3cn2)C2CCN1CC2
InChIInChI=1S/C22H29N5O3/c1-14-20(15-3-5-26(14)6-4-15)24-21(28)18-11-16-17(13-30-19(16)12-23-18)22(29)27-9-7-25(2)8-10-27/h11-15,20H,3-10H2,1-2H3,(H,24,28)
InChIKeyPBPLVDOKQXTLPL-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.43
Rot. Bonds3

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 22047163) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID22047163
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
SMILESCC1C(NC(=O)c2cc3c(C(=O)N4CCN(C)CC4)coc3cn2)C2CCN1CC2
InChIInChI=1S/C22H29N5O3/c1-14-20(15-3-5-26(14)6-4-15)24-21(28)18-11-16-17(13-30-19(16)12-23-18)22(29)27-9-7-25(2)8-10-27/h11-15,20H,3-10H2,1-2H3,(H,24,28)
InChIKeyPBPLVDOKQXTLPL-UHFFFAOYSA-N
XLogP1.43
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 10267724
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
CID 22047003
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389418
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(1,2,4-triazol-1-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22046974
2-(azetidine-1-carbonyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22047619
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-8λ3-ioda-7-oxa-3-azabicyclo[4.3.0]nona-1,3,5,8-tetraene-4-carboxamide
CID 142665738
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzothiolo[3,2-c]pyridine-3-carboxamide
CID 21034438
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(morpholine-4-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 66814601
3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047221
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(1,2,4-triazol-1-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22047038
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047205
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(triazol-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047576

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide (CID 22047163) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide is CC1C(NC(=O)c2cc3c(C(=O)N4CCN(C)CC4)coc3cn2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is PBPLVDOKQXTLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14-20(15-3-5-26(14)6-4-15)24-21(28)18-11-16-17(13-30-19(16)12-23-18)22(29)27-9-7-25(2)8-10-27/h11-15,20H,3-10H2,1-2H3,(H,24,28).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22047163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).